General Information of the Compound
| Compound ID |
CP0451134
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| Compound Name |
4'-(2-Benzyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-ylmethyl)-biphenyl-2-carboxylic acid
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| Structure |
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| Formula |
C28H26N2O3
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| Molecular Weight |
438.527
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| Canonical SMILES |
OC(=O)c1ccccc1-c1ccc(CN2C(Cc3ccccc3)=NC3(CCCC3)C2=O)cc1
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| InChI |
InChI=1S/C28H26N2O3/c31-26(32)24-11-5-4-10-23(24)22-14-12-21(13-15-22)19-30-25(18-20-8-2-1-3-9-20)29-28(27(30)33)16-6-7-17-28/h1-5,8-15H,6-7,16-19H2,(H,31,32)
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| InChIKey |
AKPSJDJJPBXDJU-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT05756, Leukotriene B4 receptor 2
Protein ID: PT01197, Type-1 angiotensin II receptor